Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8150148 | 1.00 | CYP2A6 (0.42) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL8149480 | 0.80 | — | — | |
| SCHEMBL8404534 | 0.80 | CYP2A6 (0.56) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL12126083 | 0.78 | ALDH1A1 (0.35) | CYP2A6ALDH1A1 | |
| SCHEMBL8140915 | 0.78 | CYP2A6 (0.39) | CYP2A6MEN1ALDH1A1KMT2A | |
| SCHEMBL324210 | 0.78 | ALDH1A1 (0.35) | CYP2A6MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL29955874 | 0.78 | ALDH1A1 (0.35) | CYP2A6MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL8154003 | 0.78 | CYP2A6 (0.42) | CYP2A6ALDH1A1 | |
| SCHEMBL8155348 | 0.78 | CYP1A2 (0.42) | CYP2A6BACE1 | |
| SCHEMBL8150150 | 0.78 | CYP2A6 (0.42) | CYP2A6ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |